N-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-3-[4-(thiophen-2-ylsulfonylamino)piperidin-1-ium-1-yl]propanamide

Systemtic Name: N-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-3-[4-(thiophen-2-ylsulfonylamino)piperidin-1-ium-1-yl]propanamide Openeye Name: N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[4-(2-thienylsulfonylamino)piperidin-1-ium-1-yl]propanamide CAS Name: N-[4-(2-oxo-1-pyrrolidinyl)phenyl]-3-[4-(thiophen-2-ylsulfonylamino)-1-piperidin-1-iumyl]propanamide IUPAC Name: N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[4-(thiophen-2-ylsulfonylamino)piperidin-1-ium-1-yl]propanamide Traditional Name: N-[4-(2-ketopyrrolidino)phenyl]-3-[4-(2-thienylsulfonylamino)piperidin-1-ium-1-yl]propionamide Formula: C22H29N4O4S2+ MolecularWeight: 477.62006

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)NC(=O)CC[NH+]3CCC(CC3)NS(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)NC(=O)CC[NH+]3CCC(CC3)NS(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C22H28N4O4S2/c27-20(23-17-5-7-19(8-6-17)26-12-1-3-21(26)28)11-15-25-13-9-18(10-14-25)24-32(29,30)22-4-2-16-31-22/h2,4-8,16,18,24H,1,3,9-15H2,(H,23,27)/p+1